SCHEMBL8773828

SCHEMBL8773828

CC(=O)Nc1c(F)cc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
SLC2A1 P11166 1/20 0.41
IDO1 P14902 1/20 0.40
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
TSHR P16473 1/20 0.39
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7248155 0.90 KMT2A (0.43) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL9031190 0.86 ALDH1A1 (0.49) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6036163 0.85 SMN1; SMN2 (0.41) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL13483414 0.84 KMT2A (0.47) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL9837342 0.83 SLC2A1 (0.42) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL8773844 0.82 KMT2A (0.41) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL14003578 0.82 CA1 (0.40) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL30124621 0.82 KMT2A (0.41) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL1634754 0.82 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL3576620 0.81 KDM4E (0.53) MEN1KMT2AMAPTALDH1A1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470669-B1 Preparation of fluorophenols, fluorohalophenols, N-acylfluoroanilines, and N-acylfluorohaloanilines DOWELANCO (US) 1997-11-12 EP disclosed
US-5164502-A Fluorinating agents DOWELANCO (US) 1992-11-17 US disclosed
US-5116982-A Fluorination DOWELANCO (US) 1992-05-26 US disclosed
EP-0470669-A2 Preparation of fluorophenols, fluorohalophenols, N-acylfluoroanilines, and N-acylfluorohaloanilines DOWELANCO (US) 1992-02-12 EP disclosed